Compound Detail
CHEMBL2369423
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2369423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXJNOQBVVDSYDO-RDJZCZTQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
0.55
ALogP
6
HBA
4
HBD
137.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory activity against big ET-1 of Neutral endopeptidase | 7783143 |
| Endothelin-converting enzyme 1 | IC50 | = | 33000.0 | nM | 4.48 | Inhibitory activity against human bronchiolar smooth muscle Endothelin-convertin... | 7783143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783143 | 10.1021/jm00012a011 | Endothelin-converting enzyme 1 | 1 |
| 7783143 | 10.1021/jm00012a011 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine